N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C11H12BrN3OS2 — CID 47438451

IUPACN-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESC=C(Br)CNC(=O)c1cc2sc(N(C)C)nc2s1
InChIInChI=1S/C11H12BrN3OS2/c1-6(12)5-13-9(16)7-4-8-10(17-7)14-11(18-8)15(2)3/h4H,1,5H2,2-3H3,(H,13,16)
InChIKeyUNTWCHWKGSRTIV-UHFFFAOYSA-N
MW346.28 g/mol
LogP3.06
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 47438451) has the molecular formula C11H12BrN3OS2 and a molecular weight of 346.28 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID47438451
Molecular FormulaC11H12BrN3OS2
Molecular Weight346.28 g/mol
Exact Mass344.96
IUPAC NameN-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESC=C(Br)CNC(=O)c1cc2sc(N(C)C)nc2s1
InChIInChI=1S/C11H12BrN3OS2/c1-6(12)5-13-9(16)7-4-8-10(17-7)14-11(18-8)15(2)3/h4H,1,5H2,2-3H3,(H,13,16)
InChIKeyUNTWCHWKGSRTIV-UHFFFAOYSA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazine-1-carboxylate
CID 45915311
Methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate
CID 47060249
Methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate
CID 51087747
Methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate
CID 52368944
4-[2-(Diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperazin-2-one
CID 56818542
1-[2-(Dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one
CID 56821194
2-(diethylamino)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 167592256
2-[(3R)-4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]-N-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]thiazole-5-carboxamide
CID 176163282
methyl (2R)-2-methyl-4-[5-[[(1S,2S)-2-methylcyclopropyl]carbamoyl]thieno[2,3-d]thiazol-2-yl]piperazine-1-carboxylate
CID 176163284
2-(diethylamino)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 49072475
2-(diethylamino)-N-(2,4-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689096
2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689103

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 47438451) is N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is C=C(Br)CNC(=O)c1cc2sc(N(C)C)nc2s1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is UNTWCHWKGSRTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS2/c1-6(12)5-13-9(16)7-4-8-10(17-7)14-11(18-8)15(2)3/h4H,1,5H2,2-3H3,(H,13,16).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 346.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 47438451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).